SCHEMBL3784494

SCHEMBL3784494

Nc1ccc(-c2c(N)cccc2Sc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
NSD2 O96028 1/20 0.45
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DHFR P00374 2/20 0.40
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM1A O60341 1/20 0.37
ADORA2A P29274 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3790004 0.91 MAPT (0.49) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL3790685 0.83 MAOA (0.48) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL4962528 0.81 MAPT (0.44) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL3800110 0.79 MAPT (0.56) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL3785862 0.77 CYP3A4 (0.37) HPGDMAPTKDM4ECYP3A4TDP1
SCHEMBL3787013 0.77 CYP3A4 (0.46) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL3785271 0.76 HPGD (0.46) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL3095695 0.75 CYP3A4 (0.56) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL29613097 0.75 MAPT (0.56) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL11546 0.75 MAPT (0.56) HPGDCYP2C9CYP2C19MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HPGD 2790/4885CYP2C9 157/4885CYP2C19 196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.